{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -46.9500061 -8.408924 -7.4795011 ] [ -10.1013575 3.2347164 22.5867557 ] [ -19.6965472 -93.7750347 -134.304078 ] [ 62.9521748 73.8259465 100.7826175 ] [ 10.2392074 -11.0326387 28.2048773 ] [ 3.5565286 36.1559345 -9.7906713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.52222021198374e-08 -1.347258143888402e-08 -1.198348179766788e-08 ] [ -1.618415882484274e-08 5.182586990998342e-09 3.618797192226114e-08 ] [ -3.15573474343237e-08 -1.502441682110488e-07 -2.151788538496996e-07 ] [ 1.008605026930749e-07 1.182822054907316e-07 1.61471553541529e-07 ] [ 1.640501871180235e-08 -1.76762357908733e-08 4.518919500259263e-08 ] [ 5.698186974126556e-09 5.792819295907614e-08 -1.568638465879754e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 61.773279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.897170340395561e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4295195 0.6220924 0.9959373 ] [ 0.4584572 -0.0960804 3.190174 ] [ 1.9836602 -0.6354323 -0.263291 ] [ 2.8766257 1.0685813 1.1851469 ] [ 2.6160297 0.5751286 3.4549013 ] [ 2.8295317 3.3124481 0.6741866 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.295195e-11 6.220924e-11 9.959373000000001e-11 ] [ 4.584572e-11 -9.60804e-12 3.190174e-10 ] [ 1.9836602e-10 -6.354323e-11 -2.63291e-11 ] [ 2.8766257e-10 1.0685813e-10 1.1851469e-10 ] [ 2.6160297e-10 5.751286e-11 3.4549013e-10 ] [ 2.8295317e-10 3.3124481e-10 6.741866e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.97e-05 1.27e-05 3.57e-05 ] [ 2.77e-05 -3.11e-05 -7.61e-05 ] [ -2.3e-05 -8e-07 2.49e-05 ] [ -2.9e-05 -6.58e-05 -4.75e-05 ] [ -7.7e-06 5.25e-05 4.85e-05 ] [ 1.24e-05 3.26e-05 1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.156287942976e-14 2.034764308416e-14 5.719770536256001e-14 ] [ 4.438029239616e-14 -4.982769290688e-14 -1.2192564084288e-13 ] [ -3.68500622784e-14 -1.28174129664e-15 3.989419785791999e-14 ] [ -4.64631220032e-14 -1.0542322164864e-13 -7.610338948800001e-14 ] [ -1.233675998016e-14 8.4114272592e-14 7.77055661088e-14 ] [ 1.986699009792e-14 5.223095783807999e-14 2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.261132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.605320551814275e-18 } }